(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine

C11H22N2 — CID 166703468

IUPAC(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine
SMILESCCC(CC)=N/C(C)=C(\C)CCN
InChIInChI=1S/C11H22N2/c1-5-11(6-2)13-10(4)9(3)7-8-12/h5-8,12H2,1-4H3/b10-9+
InChIKeyJVOQUMUYSASJRH-MDZDMXLPSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds5

About (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine

(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine (PubChem CID 166703468) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine
PubChem CID166703468
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine
SMILESCCC(CC)=N/C(C)=C(\C)CCN
InChIInChI=1S/C11H22N2/c1-5-11(6-2)13-10(4)9(3)7-8-12/h5-8,12H2,1-4H3/b10-9+
InChIKeyJVOQUMUYSASJRH-MDZDMXLPSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine?
The IUPAC name of (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine (CID 166703468) is (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine.
What is the SMILES notation for (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine?
The canonical SMILES for (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine is CCC(CC)=N/C(C)=C(\C)CCN.
What is the InChIKey of (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine?
The InChIKey is JVOQUMUYSASJRH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(6-2)13-10(4)9(3)7-8-12/h5-8,12H2,1-4H3/b10-9+.
What are the key properties of (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine?
(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine is sourced from PubChem (CID 166703468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).